Amiselimod Hydrochloride
2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;hydrochloride
Molecular Identity
Amiselimod Hydrochloride
2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;hydrochloride
PubChem CID: 67418070
2D Structure
Properties
C19H31ClF3NO3
Molecular Formula
413.90
Molecular Weight
g/mol
413.1945
Exact Mass
Da
75.7
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
376
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCOC1=C(C=C(C=C1)CCC(CO)(CO)N)C(F)(F)F.ClIsomeric SMILES
SMILES: CCCCCCCOC1=C(C=C(C=C1)CCC(CO)(CO)N)C(F)(F)F.ClSynonyms(20)
Amiselimod hydrochloride942398-84-7MT-1303AY898D6RU12-Amino-2-(2-(4-heptyloxy-3-trifluoromethylphenyl)ethyl)propane-1,3-diol hydrochloride1,3-Propanediol, 2-amino-2-(2-(4-(heptyloxy)-3-(trifluoromethyl)phenyl)ethyl)-, hydrochloride (1:1)2-amino-2-[2-(4-heptyloxy-3-trifluoromethylphenyl)ethyl]propane-1,3-diol HydrochlorideRefChem:112099Amiselimod HCl2-amino-2-(4-(heptyloxy)-3-(trifluoromethyl)phenethyl)propane-1,3-diol hydrochlorideAmiselimod (hydrochloride)UNII-AY898D6RU1Amiselimod(MT-1303) hydrochloride2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;hydrochlorideSCHEMBL2463915
Data from PubChem (NCBI)
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